Compound Detail
CHEMBL28531
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Basic Information
| ChEMBL ID | CHEMBL28531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEZSUAXJWCMWEK-YIGWGJNQSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
2.50
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 5 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 8.26 | 8.215 | 5.5 | 2 |
| Adrenergic receptor alpha-2 CHEMBL2095158 | Kd | 8.07 | 8.07 | 8.5 | 1 |
| Adrenergic receptor alpha-1 CHEMBL2094251 | Kd | 5.39 | 5.39 | 4073.8 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 4.95 | 4.95 | 11220.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Kd | = | 5.495 | nM | 8.26 | Antagonistic activity against adrenergic alpha-2 receptor in longitudinal muscle... | 2886664 |
| Adrenergic receptor alpha-2 | Kd | = | 6.761 | nM | 8.17 | Antagonistic activity against presynaptic alpha-2 adrenergic receptor in isolate... | 2886664 |
| Adrenergic receptor alpha-2 | Kd | = | 8.511 | nM | 8.07 | Antagonistic activity against longitudinal muscle strip of the guinea pig ileum ... | 2886664 |
| Adrenergic receptor alpha-1 | Kd | = | 4073.8 | nM | 5.39 | Antagonistic activity against postsynaptic alpha-1 adrenergic receptor in rabbit... | 2886664 |
| Adrenergic receptor alpha-1 | Kd | = | 11220.18 | nM | 4.95 | Antagonistic activity against postsynaptic Alpha-1 adrenergic receptor in isolat... | 2886664 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2886664 | 10.1021/jm00391a015 | Adrenergic receptor alpha-2 | 3 |
| 2886664 | 10.1021/jm00391a015 | Adrenergic receptor alpha-1 | 3 |
| 2886664 | 10.1021/jm00391a015 | Adrenergic receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine